2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine

C13H17N — CID 101487493

IUPAC2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine
SMILESC[C@@H](c1ccccn1)[C@@H]1C=CCCC1
InChIInChI=1S/C13H17N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h3,5-7,9-12H,2,4,8H2,1H3/t11-,12-/m1/s1
InChIKeyQBWWHYDNZXSWJZ-VXGBXAGGSA-N
MW187.29 g/mol
LogP3.54
Rot. Bonds2

About 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine

2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine (PubChem CID 101487493) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine
PubChem CID101487493
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine
SMILESC[C@@H](c1ccccn1)[C@@H]1C=CCCC1
InChIInChI=1S/C13H17N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h3,5-7,9-12H,2,4,8H2,1H3/t11-,12-/m1/s1
InChIKeyQBWWHYDNZXSWJZ-VXGBXAGGSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
CID 115893628
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124
1-cyclopentyl-2-pyridin-2-ylpropan-1-amine
CID 66448564
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
CID 66448173
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]ethoxy]-diphenylsilane
CID 57379185
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine
CID 143195164
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine?
The IUPAC name of 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine (CID 101487493) is 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine is C[C@@H](c1ccccn1)[C@@H]1C=CCCC1.
What is the InChIKey of 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine?
The InChIKey is QBWWHYDNZXSWJZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h3,5-7,9-12H,2,4,8H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine?
2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine is sourced from PubChem (CID 101487493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).